96 citations · 121 across the 8 of their papers we have counts for
3 papers · 1 filter
Disentangling the Effects of Structure and Lone-Pair Electrons in the Lattice Dynamics of Halide Perovskites
Sebastián Caicedo-Dávila, Adi Cohen, Silvia G. Motti +8
Metal halide perovskites have shown great performance as solar energy materials, but their outstanding optoelectronic properties are paired with unusually strong anharmonic effects…
Temperature-transferable tight-binding model using a hybrid-orbital basis
Martin Schwade, Maximilian J. Schilcher, Christian Reverón Baecker +2
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are ty…
Delta Machine Learning for Predicting Dielectric Properties and Raman Spectra
Manuel Grumet, Clara von Scarpatetti, Tomáš Bučko +1
Raman spectroscopy is an important characterization tool with diverse applications in many areas of research. We propose a machine learning method for predicting polarizabilities w…